4,4-Dimethylcyclohexanone - CAS 4255-62-3
Catalog: |
BB025165 |
Product Name: |
4,4-Dimethylcyclohexanone |
CAS: |
4255-62-3 |
Synonyms: |
4,4-dimethyl-1-cyclohexanone; 4,4-dimethylcyclohexan-1-one |
IUPAC Name: | 4,4-dimethylcyclohexan-1-one |
Description: | 4,4-Dimethylcyclohexanone (CAS# 4255-62-3) is a pharmaceutical intermediate. |
Molecular Weight: | 126.20 |
Molecular Formula: | C8H14O |
Canonical SMILES: | CC1(CCC(=O)CC1)C |
InChI: | InChI=1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3 |
InChI Key: | PXQMSTLNSHMSJB-UHFFFAOYSA-N |
Boiling Point: | 170.595 °C at 760 mmHg |
Density: | 0.893 g/cm3 |
MDL: | MFCD00234965 |
LogP: | 2.15570 |
GHS Hazard Statement: | H228 (95.12%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P264, P280, P305+P351+P338, P337+P313, and P370+P378 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111533666-A | Dimethyl cyclohexene derivative and application thereof in resisting influenza virus | 20200508 |
CN-111303067-A | 5, 5-dimethylcyclohex-1-ene derivatives and their use in metabolic disorders | 20200401 |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
CN-111303053-A | Cyclopenta [ d ] pyrimidine compound and pharmaceutically acceptable salt, solvate or prodrug thereof and application | 20200316 |
WO-2021173523-A1 | Hot melt extruded solid dispersions containing a bcl2 inhibitor | 20200224 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.104465066 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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